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Title: Ab initio studies of decarboxylations of the β-keto carboxylic acids XCOCH2COOH (X=H, OH, and CH3)
Journal: J. Phys. Chem. A
Volume: 101
Page(s): 7867 - 7873
Year: 1997
Reference type: Journal article
Squib: 1997HUA/WU7867-7873
Reaction:
CH2(COOH)2 → CH3C(O)OH + CO2
Reaction order:
1
Temperature:
200 - 700
K
Rate expression:
3.22x1012 [s-1]
Category: Theory
Data type:
Transition state theory
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